ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-3-methyl-butanoate

Systemtic Name: ethyl 2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-3-methyl-butanoate Openeye Name: ethyl 2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-3-methyl-butanoate CAS Name: 2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]phenyl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-3-methylbutanoate Traditional Name: 2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]thio]-3-methyl-butyric acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)SC(C(C)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)SC(C(C)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O4S/c1-5-23-29-22(19-10-8-7-9-11-19)16-25(32)30(23)17-24(31)28-20-12-14-21(15-13-20)35-26(18(3)4)27(33)34-6-2/h7-16,18,26H,5-6,17H2,1-4H3,(H,28,31)